| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:05:50 UTC |
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| Update Date | 2025-03-24 20:10:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01361093 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | O=C1NCC=CC2OC12 |
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| InChI Key | UVFBQTJXWMEPGF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersepoxideshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupetherlactamazacycleoxiranecarboxamide groupcarboxylic acid derivativedialkyl etheraliphatic heteropolycyclic compoundoxacyclesecondary carboxylic acid amideorganic oxideorganic oxygen compoundazepineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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